1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea

C35H56N2O2Si — CID 70855145

IUPAC1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H56N2O2Si/c1-4-5-23-30-36-34(38)37-31-24-15-13-11-9-7-6-8-10-12-14-22-29-35(2,3)40(39,32-25-18-16-19-26-32)33-27-20-17-21-28-33/h9,11,16-21,25-28,39H,4-8,10,12-15,22-24,29-31H2,1-3H3,(H2,36,37,38)/b11-9-
InChIKeyFPOKOAGHDVTFQY-LUAWRHEFSA-N
MW564.93 g/mol
LogP7.86
Rot. Bonds21

About 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea

1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea (PubChem CID 70855145) has the molecular formula C35H56N2O2Si and a molecular weight of 564.93 g/mol. Its IUPAC name is 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea
PubChem CID70855145
Molecular FormulaC35H56N2O2Si
Molecular Weight564.93 g/mol
Exact Mass564.41
IUPAC Name1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H56N2O2Si/c1-4-5-23-30-36-34(38)37-31-24-15-13-11-9-7-6-8-10-12-14-22-29-35(2,3)40(39,32-25-18-16-19-26-32)33-27-20-17-21-28-33/h9,11,16-21,25-28,39H,4-8,10,12-15,22-24,29-31H2,1-3H3,(H2,36,37,38)/b11-9-
InChIKeyFPOKOAGHDVTFQY-LUAWRHEFSA-N
XLogP7.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.93
LogP ≤ 57.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea (CID 70855145) is 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C\CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea?
The InChIKey is FPOKOAGHDVTFQY-LUAWRHEFSA-N. The full InChI is InChI=1S/C35H56N2O2Si/c1-4-5-23-30-36-34(38)37-31-24-15-13-11-9-7-6-8-10-12-14-22-29-35(2,3)40(39,32-25-18-16-19-26-32)33-27-20-17-21-28-33/h9,11,16-21,25-28,39H,4-8,10,12-15,22-24,29-31H2,1-3H3,(H2,36,37,38)/b11-9-.
What are the key properties of 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea?
1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea has a molecular weight of 564.93 g/mol, XLogP of 7.86, 21 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea is sourced from PubChem (CID 70855145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).